日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors

AI增强型自适应虚拟筛选平台可探索690亿个分子,并发现结构验证的FSP1抑制剂

Cecchini, Domiziana; Nigam, AkshatKumar; Tang, Ming; Reis, Joana; Koop, Matt; Gottinger, Andrea; Nicoll, Callum Robert; Wang, Yao; Jayaraj, Abhilash; Çınaroğlu, Süleyman Selim; Törner, Ricarda; Malets, Yehor; Gehev, Minko; Das, Krishna M Padmanabha; Churion, Kelly; Kim, Jongwan; Thomas, Nidhin; Li, Yong; Seo, Hyuk-Soo; Dhe-Paganon, Sirano; Secker, Christopher; Haddadnia, Mohammad; Hasson, Alexander; Li, Minkai; Kumar, Abhishek; Levin-Konigsberg, Roni; Choi, Eun-Bee; Shapiro, Geoffrey I; Cox, Huel; Sebastian, Luke; Braithwaite, Chelsea; Bashyal, Puspalata; Radchenko, Dmytro S; Kumar, Aditya; Yang, Lei; Aquilanti, Pierre-Yves; Gabb, Henry; Alhossary, Amr; Wagner, Gerhard; Aspuru-Guzik, Alán; Moroz, Yurii S; Kalodimos, Charalampos G; Fackeldey, Konstantin; Schuetz, John D; Mattevi, Andrea; Arthanari, Haribabu; Gorgulla, Christoph

Scalable deep learning reconstruction for accelerated multidimensional nuclear magnetic resonance spectroscopy of proteins

可扩展的深度学习重建方法用于加速蛋白质的多维核磁共振波谱分析

Huang, Yihui; Gao, Yuncheng; Tu, Zhangren; Agback, Tatiana; Orekhov, Vladislav; Hyberts, Sven G; Wagner, Gerhard; Lin, Yanqin; Chen, Zhong; Guo, Di; Qu, Xiaobo

Biophysical and Structural Features of αβT-Cell Receptor Mechanosensing: A Paradigmatic Shift in Understanding T-Cell Activation

αβT细胞受体机械感知的生物物理和结构特征:理解T细胞活化的范式转变

Mallis, Robert J; Brazin, Kristine N; Duke-Cohan, Jonathan S; Akitsu, Aoi; Stephens, Hanna M; Chang-Gonzalez, Ana C; Masi, Daniel J; Kirkpatrick, Evan H; Holliday, Elizabeth L; Feng, Yinnian; Zienkiewicz, Katarzyna J; Lee, Jonathan J; Cinella, Vincenzo; Uberoy, Kaveri I; Tan, Kemin; Wagner, Gerhard; Arthanari, Haribabu; Hwang, Wonmuk; Lang, Matthew J; Reinherz, Ellis L

Mechanistic Insights into the Plasmodium Phosphatase UIS2 in eIF2α Dephosphorylation via Integrated Structure-Based Modeling

通过整合结构建模揭示疟原虫磷酸酶UIS2在eIF2α去磷酸化中的机制

Wu, Su; Wagner, Gerhard

Computational inference of eIF4F complex function and structure in human cancers

利用计算方法推断人类癌症中eIF4F复合物的功能和结构

Wu, Su; Wagner, Gerhard

A community effort in SARS-CoV-2 drug discovery

社区在SARS-CoV-2药物研发方面的努力

Schimunek, Johannes; Seidl, Philipp; Elez, Katarina; Hempel, Tim; Le, Tuan; Noé, Frank; Olsson, Simon; Raich, Lluís; Winter, Robin; Gokcan, Hatice; Gusev, Filipp; Gutkin, Evgeny M; Isayev, Olexandr; Kurnikova, Maria G; Narangoda, Chamali H; Zubatyuk, Roman; Bosko, Ivan P; Furs, Konstantin V; Karpenko, Anna D; Kornoushenko, Yury V; Shuldau, Mikita; Yushkevich, Artsemi; Benabderrahmane, Mohammed B; Bousquet-Melou, Patrick; Bureau, Ronan; Charton, Beatrice; Cirou, Bertrand C; Gil, Gérard; Allen, William J; Sirimulla, Suman; Watowich, Stanley; Antonopoulos, Nick; Epitropakis, Nikolaos; Krasoulis, Agamemnon; Itsikalis, Vassilis; Theodorakis, Stavros; Kozlovskii, Igor; Maliutin, Anton; Medvedev, Alexander; Popov, Petr; Zaretckii, Mark; Eghbal-Zadeh, Hamid; Halmich, Christina; Hochreiter, Sepp; Mayr, Andreas; Ruch, Peter; Widrich, Michael; Berenger, Francois; Kumar, Ashutosh; Yamanishi, Yoshihiro; Zhang, Kam Y J; Bengio, Emmanuel; Bengio, Yoshua; Jain, Moksh J; Korablyov, Maksym; Liu, Cheng-Hao; Marcou, Gilles; Glaab, Enrico; Barnsley, Kelly; Iyengar, Suhasini M; Ondrechen, Mary Jo; Haupt, V Joachim; Kaiser, Florian; Schroeder, Michael; Pugliese, Luisa; Albani, Simone; Athanasiou, Christina; Beccari, Andrea; Carloni, Paolo; D'Arrigo, Giulia; Gianquinto, Eleonora; Goßen, Jonas; Hanke, Anton; Joseph, Benjamin P; Kokh, Daria B; Kovachka, Sandra; Manelfi, Candida; Mukherjee, Goutam; Muñiz-Chicharro, Abraham; Musiani, Francesco; Nunes-Alves, Ariane; Paiardi, Giulia; Rossetti, Giulia; Sadiq, S Kashif; Spyrakis, Francesca; Talarico, Carmine; Tsengenes, Alexandros; Wade, Rebecca C; Copeland, Conner; Gaiser, Jeremiah; Olson, Daniel R; Roy, Amitava; Venkatraman, Vishwesh; Wheeler, Travis J; Arthanari, Haribabu; Blaschitz, Klara; Cespugli, Marco; Durmaz, Vedat; Fackeldey, Konstantin; Fischer, Patrick D; Gorgulla, Christoph; Gruber, Christian; Gruber, Karl; Hetmann, Michael; Kinney, Jamie E; Padmanabha Das, Krishna M; Pandita, Shreya; Singh, Amit; Steinkellner, Georg; Tesseyre, Guilhem; Wagner, Gerhard; Wang, Zi-Fu; Yust, Ryan J; Druzhilovskiy, Dmitry S; Filimonov, Dmitry A; Pogodin, Pavel V; Poroikov, Vladimir; Rudik, Anastassia V; Stolbov, Leonid A; Veselovsky, Alexander V; De Rosa, Maria; De Simone, Giada; Gulotta, Maria R; Lombino, Jessica; Mekni, Nedra; Perricone, Ugo; Casini, Arturo; Embree, Amanda; Gordon, D Benjamin; Lei, David; Pratt, Katelin; Voigt, Christopher A; Chen, Kuang-Yu; Jacob, Yves; Krischuns, Tim; Lafaye, Pierre; Zettor, Agnès; Rodríguez, M Luis; White, Kris M; Fearon, Daren; Von Delft, Frank; Walsh, Martin A; Horvath, Dragos; Brooks, Charles L 3rd; Falsafi, Babak; Ford, Bryan; García-Sastre, Adolfo; Yup Lee, Sang; Naffakh, Nadia; Varnek, Alexandre; Klambauer, Günter; Hermans, Thomas M

NMR sample optimization and backbone assignment of a stabilized neurotensin receptor

稳定化神经降压素受体的核磁共振样品优化和骨架归属

Mohamadi, Mariam; Goricanec, David; Wagner, Gerhard; Hagn, Franz

NIN-like protein 7 transcription factor is a plant nitrate sensor

NIN样蛋白7转录因子是一种植物硝酸盐传感器

Liu, Kun-Hsiang; Liu, Menghong; Lin, Ziwei; Wang, Zi-Fu; Chen, Binqing; Liu, Cong; Guo, Aping; Konishi, Mineko; Yanagisawa, Shuichi; Wagner, Gerhard; Sheen, Jen

Challenges for chemistry in Ukraine after the war: Ukrainian science requires rebuilding and support

战后乌克兰化学面临的挑战:乌克兰科学需要重建和支持

Kondratov, Ivan S; Moroz, Yurii S; Gorgulla, Christoph; Grygorenko, Oleksandr O; Komarov, Igor V; Wagner, Gerhard; Tolmachev, Andrey A

High fidelity sampling schedules for NMR spectra of high dynamic range

高动态范围核磁共振谱的高保真采样方案

Hyberts, Sven G; Wagner, Gerhard